5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

C23H31N5O2S — CID 145040199

IUPAC5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)on2)CCN1SN1CCNCC1c1ccccc1
InChIInChI=1S/C23H31N5O2S/c1-16-13-19(25-23(29)20-14-22(30-26-20)18-7-8-18)9-11-27(16)31-28-12-10-24-15-21(28)17-5-3-2-4-6-17/h2-6,14,16,18-19,21,24H,7-13,15H2,1H3,(H,25,29)
InChIKeyHKSMQJMRKOGNHO-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.34
Rot. Bonds6

About 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 145040199) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID145040199
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC Name5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC1CC(NC(=O)c2cc(C3CC3)on2)CCN1SN1CCNCC1c1ccccc1
InChIInChI=1S/C23H31N5O2S/c1-16-13-19(25-23(29)20-14-22(30-26-20)18-7-8-18)9-11-27(16)31-28-12-10-24-15-21(28)17-5-3-2-4-6-17/h2-6,14,16,18-19,21,24H,7-13,15H2,1H3,(H,25,29)
InChIKeyHKSMQJMRKOGNHO-UHFFFAOYSA-N
XLogP3.34
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(cyclohexylmethylsulfanyl)-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040500
N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040386
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 158888627
N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 145040480
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
N-[1-(3-aminopropylsulfanyl)-2-benzylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040339
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 160514450
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
5-cyclopropyl-N-[2-(4-fluorophenyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 130188063

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 145040199) is 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is CC1CC(NC(=O)c2cc(C3CC3)on2)CCN1SN1CCNCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HKSMQJMRKOGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-16-13-19(25-23(29)20-14-22(30-26-20)18-7-8-18)9-11-27(16)31-28-12-10-24-15-21(28)17-5-3-2-4-6-17/h2-6,14,16,18-19,21,24H,7-13,15H2,1H3,(H,25,29).
What are the key properties of 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).